2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol

C9H17N3O2 — CID 60689604

IUPAC2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
SMILESOCCOCCNCCn1ccnc1
InChIInChI=1S/C9H17N3O2/c13-6-8-14-7-3-10-1-4-12-5-2-11-9-12/h2,5,9-10,13H,1,3-4,6-8H2
InChIKeyMJWCCSSJMDXFOI-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.52
Rot. Bonds8

About 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol

2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol (PubChem CID 60689604) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
PubChem CID60689604
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
SMILESOCCOCCNCCn1ccnc1
InChIInChI=1S/C9H17N3O2/c13-6-8-14-7-3-10-1-4-12-5-2-11-9-12/h2,5,9-10,13H,1,3-4,6-8H2
InChIKeyMJWCCSSJMDXFOI-UHFFFAOYSA-N
XLogP-0.52
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol (CID 60689604) is 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol is OCCOCCNCCn1ccnc1.
What is the InChIKey of 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol?
The InChIKey is MJWCCSSJMDXFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-6-8-14-7-3-10-1-4-12-5-2-11-9-12/h2,5,9-10,13H,1,3-4,6-8H2.
What are the key properties of 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol?
2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol has a molecular weight of 199.25 g/mol, XLogP of -0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol is sourced from PubChem (CID 60689604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).